SCHEMBL61517

SCHEMBL61517

CN(C)c1ccc(C=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 1.00
CYP2A13 Q16696 1/20 1.00
ALDH1A1 P00352 7/20 0.60
ALDH3A1 P30838 1/20 0.60
ALDH1A3 P47895 1/20 0.60
ALOX15 P16050 3/20 0.58
TSHR P16473 3/20 0.58
HSD17B10 Q99714 2/20 0.58
APP P05067 4/20 0.56
RELA Q04206 1/20 0.54
HSD17B3 P37058 1/20 0.54
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL28553448 0.97 CYP2A6 (0.95) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL28322492 0.97 CYP2A6 (0.95) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Hydrochloric Acid SCHEMBL6593779 0.97 CYP2A6 (0.95) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Hydrochloric Acid SCHEMBL20657879 0.95 CYP2A6 (0.91) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Methyl Alcohol SCHEMBL11054490 0.95 CYP2A6 (0.91) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL1663038 0.93 CYP2A6 (0.86) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2013090 0.93 CYP2A6 (0.86) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL21738372 0.93 CYP2A6 (0.86) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL2013092 0.93 CYP2A6 (0.86) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
Benzaldehyde SCHEMBL28191631 0.91 CYP2A6 (0.83) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 14538 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079798-A Laser molecule with cascade excited state double proton transfer activity, monocrystalline material, and preparation method and application thereof 2026-05-26 CN claimed
US-12552956-B2 Photopolymerizable type dental surface coating composition SHOFU INC. (JP) 2026-02-17 US claimed
US-20250314593-A1 DEVICES, METHODS AND KITS FOR DETECTING EXPLOSIVES AND ILLICIT DRUG SUBSTANCES TRACE EYE-D, LLC 2025-10-09 US claimed
CN-119684309-B Near infrared frequency up-conversion fluorescent probe, benzopyrylium salt compound and preparation method and application thereof 安徽大学 2025-06-17 CN claimed
CN-120118569-A Preparation method of military self-adaptive concealed radiation refrigeration material 电子科技大学 2025-06-10 CN claimed
CN-119241154-B High-strength recycled concrete and preparation method thereof 海南明磊混凝土有限公司 2025-05-23 CN claimed
CN-119432180-B Antibacterial anti-adhesion ceramic coating and preparation method thereof 江苏发银新材料有限公司 2025-05-23 CN claimed
EP-3908132-B1 METHOD FOR QUALITATIVELY AND/OR QUANTITATIVELY DETECTING SUBSTANCES CONTAINED IN A HEMP PLANT AND KIT FOR USE THEREOF LUXCAN INNOVATION S A (LU) 2025-05-21 EP claimed
US-12310268-B2 Neuromorphic memristor device based on vertically-oriented halide perovskite nanostructure and method of manufacturing the same Seoul National Unviersity R&DBFoundation (KR) 2025-05-20 US claimed
CN-120009213-A Method for measuring urea content in compound urea emulsifiable paste 武汉市皮肤病防治院 2025-05-16 CN claimed
US-4159193-A PAPER COMPRISING ACTIVATED ION EXCHANGE RESINS AND SILICA GEL ACTIVATED BY DEHYDRATION I.N.R.S., Institut National de Recherche et de Securite pour la Prevention des Accidents du travail et des Maladies Professionnelles (FR) 1979-06-26 US claimed
US-4158546-A COLORIMETRIC, QUALITATIVE AND QUANTITATIVE ANALYSIS MILES LABORATORIES, INC. (US) 1979-06-19 US claimed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US claimed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 US claimed
US-4145298-A HYDROGENATED LITHIATED COPOLYMERS GRAFTED WITH ORGANIC NITROGEN COMPOUNDS AS VISCOSITY INDEX IMPROVERS HAVING DISPERSANT PROPERTIES PHILLIPS PETROLEUM COMPANY (US) 1979-03-20 US claimed
US-4113593-A Benzophenone-containing photopolymerizable binders for printing inks and coating compositions BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 US claimed
US-4104027-A COLOR-PRODUCING REAGENTS, COLOR MATCHING CARROLL ROBERT B 1978-08-01 US claimed
US-4083827-A Dialkylaminobenzaldehyde polypyrrolidone composition CHEVRON RESEARCH COMPANY (US) 1978-04-11 US claimed
US-4049457-A WITH AN ORGANIC ACID BARD LABORATORIES, INC. (US) 1977-09-20 US claimed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 US claimed